N-octan-4-ylbicyclo[2.2.1]heptan-2-amine

C15H29N — CID 106023375

IUPACN-octan-4-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CCC)NC1CC2CCC1C2
InChIInChI=1S/C15H29N/c1-3-5-7-14(6-4-2)16-15-11-12-8-9-13(15)10-12/h12-16H,3-11H2,1-2H3
InChIKeyIHPJMACXYYHWDA-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.12
Rot. Bonds7

About N-octan-4-ylbicyclo[2.2.1]heptan-2-amine

N-octan-4-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 106023375) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-octan-4-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-octan-4-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID106023375
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-octan-4-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CCC)NC1CC2CCC1C2
InChIInChI=1S/C15H29N/c1-3-5-7-14(6-4-2)16-15-11-12-8-9-13(15)10-12/h12-16H,3-11H2,1-2H3
InChIKeyIHPJMACXYYHWDA-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
(2R)-2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 98119446
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 124526679
N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride
CID 173303480
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
1,2,5-trimethyl-N-octan-4-ylpiperidin-4-amine
CID 113262513
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol
CID 98442571

Frequently Asked Questions

What is the IUPAC name of N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-octan-4-ylbicyclo[2.2.1]heptan-2-amine (CID 106023375) is N-octan-4-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-octan-4-ylbicyclo[2.2.1]heptan-2-amine is CCCCC(CCC)NC1CC2CCC1C2.
What is the InChIKey of N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is IHPJMACXYYHWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-5-7-14(6-4-2)16-15-11-12-8-9-13(15)10-12/h12-16H,3-11H2,1-2H3.
What are the key properties of N-octan-4-ylbicyclo[2.2.1]heptan-2-amine?
N-octan-4-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 223.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 106023375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).