N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine

C17H35N3 — CID 63007603

IUPACN-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
SMILESCC(C)NCCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)18-9-6-16(3)20-12-7-17(8-13-20)14-19-10-4-5-11-19/h15-18H,4-14H2,1-3H3
InChIKeyOVOJGSLGMLNWBG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds7

About N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine

N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine (PubChem CID 63007603) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
PubChem CID63007603
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
SMILESCC(C)NCCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)18-9-6-16(3)20-12-7-17(8-13-20)14-19-10-4-5-11-19/h15-18H,4-14H2,1-3H3
InChIKeyOVOJGSLGMLNWBG-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462
N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009405
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
CID 62995232
(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile
CID 99847353

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine (CID 63007603) is N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine is CC(C)NCCC(C)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is OVOJGSLGMLNWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(2)18-9-6-16(3)20-12-7-17(8-13-20)14-19-10-4-5-11-19/h15-18H,4-14H2,1-3H3.
What are the key properties of N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine?
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 63007603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).