N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H32N4 — CID 80637710

IUPACN'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)CCCN(C)C
InChIInChI=1S/C17H32N4/c1-14-11-15(13-19-17(2,3)4)12-18-16(14)21(7)10-8-9-20(5)6/h11-12,19H,8-10,13H2,1-7H3
InChIKeyUPQVBWBUTRLDNB-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.67
Rot. Bonds7

About N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 80637710) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID80637710
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)CCCN(C)C
InChIInChI=1S/C17H32N4/c1-14-11-15(13-19-17(2,3)4)12-18-16(14)21(7)10-8-9-20(5)6/h11-12,19H,8-10,13H2,1-7H3
InChIKeyUPQVBWBUTRLDNB-UHFFFAOYSA-N
XLogP2.67
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 80637710) is N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1cc(CNC(C)(C)C)cnc1N(C)CCCN(C)C.
What is the InChIKey of N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is UPQVBWBUTRLDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14-11-15(13-19-17(2,3)4)12-18-16(14)21(7)10-8-9-20(5)6/h11-12,19H,8-10,13H2,1-7H3.
What are the key properties of N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 80637710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).