(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine

C12H27N3 — CID 175905935

IUPAC(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
SMILESCNCCCCCCN1CCC[C@H](N)C1
InChIInChI=1S/C12H27N3/c1-14-8-4-2-3-5-9-15-10-6-7-12(13)11-15/h12,14H,2-11,13H2,1H3/t12-/m0/s1
InChIKeyKMZJWIZRQATEEF-LBPRGKRZSA-N
MW213.37 g/mol
LogP1.19
Rot. Bonds7

About (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine

(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine (PubChem CID 175905935) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
PubChem CID175905935
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
SMILESCNCCCCCCN1CCC[C@H](N)C1
InChIInChI=1S/C12H27N3/c1-14-8-4-2-3-5-9-15-10-6-7-12(13)11-15/h12,14H,2-11,13H2,1H3/t12-/m0/s1
InChIKeyKMZJWIZRQATEEF-LBPRGKRZSA-N
XLogP1.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylbutan-1-amine
CID 60841189
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
1-(3-cyclohexylpropyl)piperidin-3-amine
CID 102550649
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
CID 39221513
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine (CID 175905935) is (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine is CNCCCCCCN1CCC[C@H](N)C1.
What is the InChIKey of (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine?
The InChIKey is KMZJWIZRQATEEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H27N3/c1-14-8-4-2-3-5-9-15-10-6-7-12(13)11-15/h12,14H,2-11,13H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine?
(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine has a molecular weight of 213.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(methylamino)hexyl]piperidin-3-amine is sourced from PubChem (CID 175905935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).