3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine

C17H35N3 — CID 62995232

IUPAC3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
SMILESCCCC(C)C(CN)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-3-6-15(2)17(13-18)20-11-7-16(8-12-20)14-19-9-4-5-10-19/h15-17H,3-14,18H2,1-2H3
InChIKeyLYVAVCMXFLDISA-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds7

About 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine

3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine (PubChem CID 62995232) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
PubChem CID62995232
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
SMILESCCCC(C)C(CN)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-3-6-15(2)17(13-18)20-11-7-16(8-12-20)14-19-9-4-5-10-19/h15-17H,3-14,18H2,1-2H3
InChIKeyLYVAVCMXFLDISA-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 62996489
1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166152
3-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-amine
CID 81198022
N-ethyl-3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007428
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 55141477
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 113416111
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine?
The IUPAC name of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine (CID 62995232) is 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine.
What is the SMILES notation for 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine?
The canonical SMILES for 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine is CCCC(C)C(CN)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine?
The InChIKey is LYVAVCMXFLDISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-6-15(2)17(13-18)20-11-7-16(8-12-20)14-19-9-4-5-10-19/h15-17H,3-14,18H2,1-2H3.
What are the key properties of 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine?
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine is sourced from PubChem (CID 62995232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).