N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C16H28N4 — CID 81246080

IUPACN'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccncc1CNC1CC1
InChIInChI=1S/C16H28N4/c1-4-9-20(11-10-19(2)3)16-7-8-17-12-14(16)13-18-15-5-6-15/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3
InChIKeyJEBSDIMFVGEZIU-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds9

About N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 81246080) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID81246080
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccncc1CNC1CC1
InChIInChI=1S/C16H28N4/c1-4-9-20(11-10-19(2)3)16-7-8-17-12-14(16)13-18-15-5-6-15/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3
InChIKeyJEBSDIMFVGEZIU-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

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Related Compounds

N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81247877
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 81250020
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
N'-[6-[(cyclopropylamino)methyl]pyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 66451630
3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112665329
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62294850

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 81246080) is N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ccncc1CNC1CC1.
What is the InChIKey of N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is JEBSDIMFVGEZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-9-20(11-10-19(2)3)16-7-8-17-12-14(16)13-18-15-5-6-15/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3.
What are the key properties of N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 81246080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).