N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine

C19H35N — CID 43082314

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C19H35N/c1-13(16-12-14-9-10-15(16)11-14)20-18-8-6-5-7-17(18)19(2,3)4/h13-18,20H,5-12H2,1-4H3
InChIKeyKKZQIRZPQMXZJY-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.01
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine (PubChem CID 43082314) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
PubChem CID43082314
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C19H35N/c1-13(16-12-14-9-10-15(16)11-14)20-18-8-6-5-7-17(18)19(2,3)4/h13-18,20H,5-12H2,1-4H3
InChIKeyKKZQIRZPQMXZJY-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol
CID 60897542
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79539590
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 43673879
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine (CID 43082314) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine is CC(NC1CCCCC1C(C)(C)C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is KKZQIRZPQMXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-13(16-12-14-9-10-15(16)11-14)20-18-8-6-5-7-17(18)19(2,3)4/h13-18,20H,5-12H2,1-4H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 43082314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).