N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine

C16H35N3 — CID 65296305

IUPACN',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine
SMILESCN1CCC(CN(C)CCCC(C)(C)CCN)CC1
InChIInChI=1S/C16H35N3/c1-16(2,9-10-17)8-5-11-19(4)14-15-6-12-18(3)13-7-15/h15H,5-14,17H2,1-4H3
InChIKeyHWFORIPWZYZBGS-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.42
Rot. Bonds8

About N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine

N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine (PubChem CID 65296305) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine
PubChem CID65296305
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine
SMILESCN1CCC(CN(C)CCCC(C)(C)CCN)CC1
InChIInChI=1S/C16H35N3/c1-16(2,9-10-17)8-5-11-19(4)14-15-6-12-18(3)13-7-15/h15H,5-14,17H2,1-4H3
InChIKeyHWFORIPWZYZBGS-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine with MolForge

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Related Compounds

2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
6-amino-N,4,4-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 65291673
2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788799
2-ethyl-2-(methylamino)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 106808834
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115204376
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine?
The IUPAC name of N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine (CID 65296305) is N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine.
What is the SMILES notation for N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine?
The canonical SMILES for N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine is CN1CCC(CN(C)CCCC(C)(C)CCN)CC1.
What is the InChIKey of N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine?
The InChIKey is HWFORIPWZYZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-16(2,9-10-17)8-5-11-19(4)14-15-6-12-18(3)13-7-15/h15H,5-14,17H2,1-4H3.
What are the key properties of N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine?
N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine is sourced from PubChem (CID 65296305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).