N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine

C17H34N2 — CID 115306893

IUPACN-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine
SMILESCCC(C)CC(CC)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-14(3)12-17(5-2)19-10-8-16(9-11-19)18-13-15-6-7-15/h14-18H,4-13H2,1-3H3
InChIKeyZSTKGFZDRYJLSS-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds8

About N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine (PubChem CID 115306893) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine
PubChem CID115306893
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine
SMILESCCC(C)CC(CC)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-14(3)12-17(5-2)19-10-8-16(9-11-19)18-13-15-6-7-15/h14-18H,4-13H2,1-3H3
InChIKeyZSTKGFZDRYJLSS-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine (CID 115306893) is N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine is CCC(C)CC(CC)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine?
The InChIKey is ZSTKGFZDRYJLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-14(3)12-17(5-2)19-10-8-16(9-11-19)18-13-15-6-7-15/h14-18H,4-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine is sourced from PubChem (CID 115306893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).