2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C16H28N4 — CID 103191474

IUPAC2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1cccc(CNC2CC2)n1)C(C)CN(C)C
InChIInChI=1S/C16H28N4/c1-5-20(13(2)12-19(3)4)16-8-6-7-15(18-16)11-17-14-9-10-14/h6-8,13-14,17H,5,9-12H2,1-4H3
InChIKeyYHZQDGSALDJWLE-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds8

About 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191474) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191474
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1cccc(CNC2CC2)n1)C(C)CN(C)C
InChIInChI=1S/C16H28N4/c1-5-20(13(2)12-19(3)4)16-8-6-7-15(18-16)11-17-14-9-10-14/h6-8,13-14,17H,5,9-12H2,1-4H3
InChIKeyYHZQDGSALDJWLE-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[6-[(cyclopropylamino)methyl]pyrazin-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191593
2-N-[5-chloro-4-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191574
6-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62281585
6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490139
6-[(cyclopropylamino)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62292802
6-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284157
6-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62280784
6-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyrazin-2-amine
CID 66457788
6-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 62294639
N-[[6-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106907080
2-N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190010
6-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 62284712

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191474) is 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1cccc(CNC2CC2)n1)C(C)CN(C)C.
What is the InChIKey of 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is YHZQDGSALDJWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-20(13(2)12-19(3)4)16-8-6-7-15(18-16)11-17-14-9-10-14/h6-8,13-14,17H,5,9-12H2,1-4H3.
What are the key properties of 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).