(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine

C14H31N3 — CID 167253643

IUPAC(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCNCCCCCCN1CC[C@H](NC(C)C)C1
InChIInChI=1S/C14H31N3/c1-13(2)16-14-8-11-17(12-14)10-7-5-4-6-9-15-3/h13-16H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyMOUQZQKKIYFHJB-AWEZNQCLSA-N
MW241.42 g/mol
LogP1.84
Rot. Bonds9

About (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine

(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 167253643) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID167253643
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCNCCCCCCN1CC[C@H](NC(C)C)C1
InChIInChI=1S/C14H31N3/c1-13(2)16-14-8-11-17(12-14)10-7-5-4-6-9-15-3/h13-16H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyMOUQZQKKIYFHJB-AWEZNQCLSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.84
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

1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine
CID 114124875
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylbutan-1-amine
CID 60841189
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
CID 175905935
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetonitrile
CID 170381955
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine (CID 167253643) is (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine is CNCCCCCCN1CC[C@H](NC(C)C)C1.
What is the InChIKey of (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is MOUQZQKKIYFHJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)16-14-8-11-17(12-14)10-7-5-4-6-9-15-3/h13-16H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine?
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.84, 9 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]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 167253643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).