N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine

C12H26N2 — CID 103096871

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCC1CCN(C)C1
InChIInChI=1S/C12H26N2/c1-4-6-12(5-2)13-9-11-7-8-14(3)10-11/h11-13H,4-10H2,1-3H3
InChIKeyLELRDBNZQBJXTM-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

About N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine

N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine (PubChem CID 103096871) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
PubChem CID103096871
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCC1CCN(C)C1
InChIInChI=1S/C12H26N2/c1-4-6-12(5-2)13-9-11-7-8-14(3)10-11/h11-13H,4-10H2,1-3H3
InChIKeyLELRDBNZQBJXTM-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 115905500
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine
CID 115769979
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
CID 65337885
3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
CID 115137561
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine (CID 103096871) is N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine is CCCC(CC)NCC1CCN(C)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine?
The InChIKey is LELRDBNZQBJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-12(5-2)13-9-11-7-8-14(3)10-11/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine is sourced from PubChem (CID 103096871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).