3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine

C19H40N2 — CID 107870233

IUPAC3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCCC1(CN(CCC(C)C)CCC(C)C)CCCNC1
InChIInChI=1S/C19H40N2/c1-6-10-19(11-7-12-20-15-19)16-21(13-8-17(2)3)14-9-18(4)5/h17-18,20H,6-16H2,1-5H3
InChIKeyPIBOVVKPFDNFSL-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds10

About 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine

3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine (PubChem CID 107870233) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
PubChem CID107870233
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCCC1(CN(CCC(C)C)CCC(C)C)CCCNC1
InChIInChI=1S/C19H40N2/c1-6-10-19(11-7-12-20-15-19)16-21(13-8-17(2)3)14-9-18(4)5/h17-18,20H,6-16H2,1-5H3
InChIKeyPIBOVVKPFDNFSL-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 63133103
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310
N-[(3-ethylpiperidin-3-yl)methyl]-N-propylpropan-1-amine
CID 63133368
N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 55164523
N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
CID 55164134
N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143069
N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 79864779
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418
N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63533952
N-[(3-ethylpiperidin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 63133024
N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 55166322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine (CID 107870233) is 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine is CCCC1(CN(CCC(C)C)CCC(C)C)CCCNC1.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
The InChIKey is PIBOVVKPFDNFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-10-19(11-7-12-20-15-19)16-21(13-8-17(2)3)14-9-18(4)5/h17-18,20H,6-16H2,1-5H3.
What are the key properties of 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 107870233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).