N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine

C11H13N — CID 143932431

IUPACN-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCc1ccc2c(c1)C2
InChIInChI=1S/C11H13N/c1-8(2)12-7-9-3-4-10-6-11(10)5-9/h3-5,12H,1,6-7H2,2H3
InChIKeyCTRRWATWIYWBLQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.21
Rot. Bonds3

About N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine

N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine (PubChem CID 143932431) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine
PubChem CID143932431
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCc1ccc2c(c1)C2
InChIInChI=1S/C11H13N/c1-8(2)12-7-9-3-4-10-6-11(10)5-9/h3-5,12H,1,6-7H2,2H3
InChIKeyCTRRWATWIYWBLQ-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
CID 20647301
ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
CID 143602189
N-[[4-[(6-pentyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]prop-1-en-2-amine
CID 166719026
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
CID 115167829
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide
CID 167820235
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
2-methyl-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)propanoic acid
CID 115164248
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine?
The IUPAC name of N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine (CID 143932431) is N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine?
The canonical SMILES for N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine is C=C(C)NCc1ccc2c(c1)C2.
What is the InChIKey of N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine?
The InChIKey is CTRRWATWIYWBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8(2)12-7-9-3-4-10-6-11(10)5-9/h3-5,12H,1,6-7H2,2H3.
What are the key properties of N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine?
N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine has a molecular weight of 159.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine is sourced from PubChem (CID 143932431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).