N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C17H33N — CID 43222947

IUPACN-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCC(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33N/c1-6-7-8-9-13(2)18-15-12-14-10-11-17(15,5)16(14,3)4/h13-15,18H,6-12H2,1-5H3
InChIKeyZQQIUPRHAGQPMI-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds6

About N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 43222947) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID43222947
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCC(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33N/c1-6-7-8-9-13(2)18-15-12-14-10-11-17(15,5)16(14,3)4/h13-15,18H,6-12H2,1-5H3
InChIKeyZQQIUPRHAGQPMI-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
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

(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
CID 114986971
N-heptan-4-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683810
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 63450726
N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
CID 60664094
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115572582
methyl (2S)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoate
CID 63021775
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 43222947) is N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CCCCCC(C)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZQQIUPRHAGQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-6-7-8-9-13(2)18-15-12-14-10-11-17(15,5)16(14,3)4/h13-15,18H,6-12H2,1-5H3.
What are the key properties of N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43222947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).