1-methyl-N-(4-methylpentyl)piperidin-4-amine

C12H26N2 — CID 61043783

IUPAC1-methyl-N-(4-methylpentyl)piperidin-4-amine
SMILESCC(C)CCCNC1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-11(2)5-4-8-13-12-6-9-14(3)10-7-12/h11-13H,4-10H2,1-3H3
InChIKeyDCGWCTKBHLMFIE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds5

About 1-methyl-N-(4-methylpentyl)piperidin-4-amine

1-methyl-N-(4-methylpentyl)piperidin-4-amine (PubChem CID 61043783) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpentyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methylpentyl)piperidin-4-amine
PubChem CID61043783
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-methyl-N-(4-methylpentyl)piperidin-4-amine
SMILESCC(C)CCCNC1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-11(2)5-4-8-13-12-6-9-14(3)10-7-12/h11-13H,4-10H2,1-3H3
InChIKeyDCGWCTKBHLMFIE-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylpentyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(4-methylpentyl)piperidin-4-amine (CID 61043783) is 1-methyl-N-(4-methylpentyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(4-methylpentyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(4-methylpentyl)piperidin-4-amine is CC(C)CCCNC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(4-methylpentyl)piperidin-4-amine?
The InChIKey is DCGWCTKBHLMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)5-4-8-13-12-6-9-14(3)10-7-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-methyl-N-(4-methylpentyl)piperidin-4-amine?
1-methyl-N-(4-methylpentyl)piperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpentyl)piperidin-4-amine is sourced from PubChem (CID 61043783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).