1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine

C16H30N2 — CID 63133124

IUPAC1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CNC(C2CC2)C2CC2)CCCNC1
InChIInChI=1S/C16H30N2/c1-2-8-16(9-3-10-17-11-16)12-18-15(13-4-5-13)14-6-7-14/h13-15,17-18H,2-12H2,1H3
InChIKeyQKPAOKDNVRIGLA-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.93
Rot. Bonds7

About 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine

1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine (PubChem CID 63133124) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
PubChem CID63133124
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CNC(C2CC2)C2CC2)CCCNC1
InChIInChI=1S/C16H30N2/c1-2-8-16(9-3-10-17-11-16)12-18-15(13-4-5-13)14-6-7-14/h13-15,17-18H,2-12H2,1H3
InChIKeyQKPAOKDNVRIGLA-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine (CID 63133124) is 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine is CCCC1(CNC(C2CC2)C2CC2)CCCNC1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The InChIKey is QKPAOKDNVRIGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-8-16(9-3-10-17-11-16)12-18-15(13-4-5-13)14-6-7-14/h13-15,17-18H,2-12H2,1H3.
What are the key properties of 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine has a molecular weight of 250.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63133124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).