N-[(2-cyclopropylphenyl)methyl]octan-4-amine

C18H29N — CID 106023493

IUPACN-[(2-cyclopropylphenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccccc1C1CC1
InChIInChI=1S/C18H29N/c1-3-5-10-17(8-4-2)19-14-16-9-6-7-11-18(16)15-12-13-15/h6-7,9,11,15,17,19H,3-5,8,10,12-14H2,1-2H3
InChIKeyAELCSMNSAQXNEE-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.01
Rot. Bonds9

About N-[(2-cyclopropylphenyl)methyl]octan-4-amine

N-[(2-cyclopropylphenyl)methyl]octan-4-amine (PubChem CID 106023493) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]octan-4-amine
PubChem CID106023493
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(2-cyclopropylphenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccccc1C1CC1
InChIInChI=1S/C18H29N/c1-3-5-10-17(8-4-2)19-14-16-9-6-7-11-18(16)15-12-13-15/h6-7,9,11,15,17,19H,3-5,8,10,12-14H2,1-2H3
InChIKeyAELCSMNSAQXNEE-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899991
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
2-[(1-hydroxyhexan-2-ylamino)methyl]phenol
CID 91522535
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138
4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106023724
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217
1-cyclopropyl-2-hexylbenzene
CID 172995295
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]octan-4-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]octan-4-amine (CID 106023493) is N-[(2-cyclopropylphenyl)methyl]octan-4-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]octan-4-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]octan-4-amine is CCCCC(CCC)NCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]octan-4-amine?
The InChIKey is AELCSMNSAQXNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-5-10-17(8-4-2)19-14-16-9-6-7-11-18(16)15-12-13-15/h6-7,9,11,15,17,19H,3-5,8,10,12-14H2,1-2H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]octan-4-amine?
N-[(2-cyclopropylphenyl)methyl]octan-4-amine has a molecular weight of 259.44 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]octan-4-amine is sourced from PubChem (CID 106023493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).