N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine

C14H27N — CID 61309535

IUPACN-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCC(C)NC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-3-4-5-6-11(2)15-14-10-12-7-8-13(14)9-12/h11-15H,3-10H2,1-2H3
InChIKeyUDCUVLZRNWOBPP-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds6

About N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine

N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 61309535) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID61309535
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCC(C)NC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-3-4-5-6-11(2)15-14-10-12-7-8-13(14)9-12/h11-15H,3-10H2,1-2H3
InChIKeyUDCUVLZRNWOBPP-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol
CID 98442571
N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
CID 106023375
N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115886386
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine
CID 43223044
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine (CID 61309535) is N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine is CCCCCC(C)NC1CC2CCC1C2.
What is the InChIKey of N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is UDCUVLZRNWOBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-4-5-6-11(2)15-14-10-12-7-8-13(14)9-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine?
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).