(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C14H23N — CID 103905893

IUPAC(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC#CCNC1CC2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C14H23N/c1-5-6-9-15-12-10-11-7-8-14(12,4)13(11,2)3/h11-12,15H,7-10H2,1-4H3/t11?,12?,14-/m1/s1
InChIKeyGNNKZPAQNFRUBT-ORHYLEIMSA-N
MW205.34 g/mol
LogP2.81
Rot. Bonds2

About (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 103905893) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID103905893
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC#CCNC1CC2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C14H23N/c1-5-6-9-15-12-10-11-7-8-14(12,4)13(11,2)3/h11-12,15H,7-10H2,1-4H3/t11?,12?,14-/m1/s1
InChIKeyGNNKZPAQNFRUBT-ORHYLEIMSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
(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,4R)-1,7,7-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 98119738
2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 103894846
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
N-(2,2-dimethylbutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103460678
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114158528
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662731
N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928

Frequently Asked Questions

What is the IUPAC name of (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 103905893) is (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC#CCNC1CC2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is GNNKZPAQNFRUBT-ORHYLEIMSA-N. The full InChI is InChI=1S/C14H23N/c1-5-6-9-15-12-10-11-7-8-14(12,4)13(11,2)3/h11-12,15H,7-10H2,1-4H3/t11?,12?,14-/m1/s1.
What are the key properties of (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103905893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).