2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine

C16H35N3 — CID 63232902

IUPAC2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-5-9-16(14-17,10-6-2)19(4)13-15-7-11-18(3)12-8-15/h15H,5-14,17H2,1-4H3
InChIKeyOLCWACZVNDRWQI-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds8

About 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine

2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine (PubChem CID 63232902) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
PubChem CID63232902
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-5-9-16(14-17,10-6-2)19(4)13-15-7-11-18(3)12-8-15/h15H,5-14,17H2,1-4H3
InChIKeyOLCWACZVNDRWQI-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63232980
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine
CID 55084420
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
CID 63947157
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
2-amino-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 63234440
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine (CID 63232902) is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine is CCCC(CN)(CCC)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine?
The InChIKey is OLCWACZVNDRWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-9-16(14-17,10-6-2)19(4)13-15-7-11-18(3)12-8-15/h15H,5-14,17H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine?
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine is sourced from PubChem (CID 63232902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).