4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine

C16H33N3 — CID 115149957

IUPAC4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
SMILESCN1CCCC(C(C)(C)CNC2CCC(N)CC2)C1
InChIInChI=1S/C16H33N3/c1-16(2,13-5-4-10-19(3)11-13)12-18-15-8-6-14(17)7-9-15/h13-15,18H,4-12,17H2,1-3H3
InChIKeyHDMYFSHFRMOOKE-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.21
Rot. Bonds4

About 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine

4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine (PubChem CID 115149957) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
PubChem CID115149957
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
SMILESCN1CCCC(C(C)(C)CNC2CCC(N)CC2)C1
InChIInChI=1S/C16H33N3/c1-16(2,13-5-4-10-19(3)11-13)12-18-15-8-6-14(17)7-9-15/h13-15,18H,4-12,17H2,1-3H3
InChIKeyHDMYFSHFRMOOKE-UHFFFAOYSA-N
XLogP2.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115158615
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115263731
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116866531
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602
2-hydroxy-2-methyl-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115179064
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115244469
2,2,3,5-tetramethyl-5-(1-methylpiperidin-3-yl)hexan-3-amine
CID 146366488
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine (CID 115149957) is 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine is CN1CCCC(C(C)(C)CNC2CCC(N)CC2)C1.
What is the InChIKey of 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine?
The InChIKey is HDMYFSHFRMOOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,13-5-4-10-19(3)11-13)12-18-15-8-6-14(17)7-9-15/h13-15,18H,4-12,17H2,1-3H3.
What are the key properties of 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine?
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 115149957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).