N-(piperidin-3-ylmethyl)cyclododecanamine

C18H36N2 — CID 83958102

IUPACN-(piperidin-3-ylmethyl)cyclododecanamine
SMILESC1CCCCCC(NCC2CCCNC2)CCCCC1
InChIInChI=1S/C18H36N2/c1-2-4-6-8-12-18(13-9-7-5-3-1)20-16-17-11-10-14-19-15-17/h17-20H,1-16H2
InChIKeyUXDBRMJPTFJCMS-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.25
Rot. Bonds3

About N-(piperidin-3-ylmethyl)cyclododecanamine

N-(piperidin-3-ylmethyl)cyclododecanamine (PubChem CID 83958102) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)cyclododecanamine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)cyclododecanamine
PubChem CID83958102
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(piperidin-3-ylmethyl)cyclododecanamine
SMILESC1CCCCCC(NCC2CCCNC2)CCCCC1
InChIInChI=1S/C18H36N2/c1-2-4-6-8-12-18(13-9-7-5-3-1)20-16-17-11-10-14-19-15-17/h17-20H,1-16H2
InChIKeyUXDBRMJPTFJCMS-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333
N-(2-piperidin-3-ylethyl)cycloheptanamine
CID 62675109
3-methyl-N-[[(3R)-piperidin-3-yl]methyl]cyclobutan-1-amine
CID 130522929
N-(piperidin-3-ylmethyl)oxan-3-amine
CID 80555107
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-(piperidin-3-ylmethyl)pyrrolidin-2-amine
CID 105440865
2-methyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80553082
3,3-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 114544120
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)cyclododecanamine?
The IUPAC name of N-(piperidin-3-ylmethyl)cyclododecanamine (CID 83958102) is N-(piperidin-3-ylmethyl)cyclododecanamine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)cyclododecanamine?
The canonical SMILES for N-(piperidin-3-ylmethyl)cyclododecanamine is C1CCCCCC(NCC2CCCNC2)CCCCC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)cyclododecanamine?
The InChIKey is UXDBRMJPTFJCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-2-4-6-8-12-18(13-9-7-5-3-1)20-16-17-11-10-14-19-15-17/h17-20H,1-16H2.
What are the key properties of N-(piperidin-3-ylmethyl)cyclododecanamine?
N-(piperidin-3-ylmethyl)cyclododecanamine has a molecular weight of 280.50 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)cyclododecanamine is sourced from PubChem (CID 83958102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).