N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine

C12H17N — CID 170268386

IUPACN-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine
SMILESC=C(C)NC12CC3CC4CC1CC432
InChIInChI=1S/C12H17N/c1-7(2)13-12-6-9-3-8-4-10(12)5-11(8,9)12/h8-10,13H,1,3-6H2,2H3
InChIKeyDBGXFEQZFKJTNO-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.30
Rot. Bonds2

About N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine

N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine (PubChem CID 170268386) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine.

Molecular Properties

Compound NameN-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine
PubChem CID170268386
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine
SMILESC=C(C)NC12CC3CC4CC1CC432
InChIInChI=1S/C12H17N/c1-7(2)13-12-6-9-3-8-4-10(12)5-11(8,9)12/h8-10,13H,1,3-6H2,2H3
InChIKeyDBGXFEQZFKJTNO-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-N-prop-1-en-2-ylcyclobutan-1-amine
CID 170641816
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
(7-ethenyl-2-methyl-2-tetracyclo[5.2.1.03,8.05,8]decanyl) acetate
CID 123177438
methyl 2-[(1R,5S)-3-acetyl-1-bicyclo[3.1.0]hexanyl]prop-2-enoate
CID 12000247
2-(4-tetracyclo[4.3.1.02,4.02,8]decanyl)ethyl 2-methylprop-2-enoate
CID 129102806
bicyclo[2.1.0]pentane-1,2-diol
CID 66908038
1,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
CID 142944905
N-(1-adamantyloxy)acetamide
CID 87737951
4,6-bis(prop-1-en-2-ylamino)cyclohexane-1,2,3-triol
CID 22973589
trans-(2R,4R)-1,1,2-trimethyl-4-prop-1-en-2-ylcyclobutane
CID 162732695
2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
CID 154444856
(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine
CID 142053168

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine?
The IUPAC name of N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine (CID 170268386) is N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine.
What is the SMILES notation for N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine?
The canonical SMILES for N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine is C=C(C)NC12CC3CC4CC1CC432.
What is the InChIKey of N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine?
The InChIKey is DBGXFEQZFKJTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-7(2)13-12-6-9-3-8-4-10(12)5-11(8,9)12/h8-10,13H,1,3-6H2,2H3.
What are the key properties of N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine?
N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yltetracyclo[4.3.0.01,4.02,8]nonan-2-amine is sourced from PubChem (CID 170268386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).