5-(2-butylphenyl)nonan-5-amine;hydrate

C19H35NO — CID 173000682

IUPAC5-(2-butylphenyl)nonan-5-amine;hydrate
SMILESCCCCc1ccccc1C(N)(CCCC)CCCC.O
InChIInChI=1S/C19H33N.H2O/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3;/h10-11,13-14H,4-9,12,15-16,20H2,1-3H3;1H2
InChIKeyZYDHOGLLPHPHBZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.74
Rot. Bonds10

About 5-(2-butylphenyl)nonan-5-amine;hydrate

5-(2-butylphenyl)nonan-5-amine;hydrate (PubChem CID 173000682) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 5-(2-butylphenyl)nonan-5-amine;hydrate.

Molecular Properties

Compound Name5-(2-butylphenyl)nonan-5-amine;hydrate
PubChem CID173000682
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name5-(2-butylphenyl)nonan-5-amine;hydrate
SMILESCCCCc1ccccc1C(N)(CCCC)CCCC.O
InChIInChI=1S/C19H33N.H2O/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3;/h10-11,13-14H,4-9,12,15-16,20H2,1-3H3;1H2
InChIKeyZYDHOGLLPHPHBZ-UHFFFAOYSA-N
XLogP4.74
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159940559
CID 159940559
azanium 3-butyl-3-(2-butylphenyl)heptanoate
CID 156769669
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Frequently Asked Questions

What is the IUPAC name of 5-(2-butylphenyl)nonan-5-amine;hydrate?
The IUPAC name of 5-(2-butylphenyl)nonan-5-amine;hydrate (CID 173000682) is 5-(2-butylphenyl)nonan-5-amine;hydrate.
What is the SMILES notation for 5-(2-butylphenyl)nonan-5-amine;hydrate?
The canonical SMILES for 5-(2-butylphenyl)nonan-5-amine;hydrate is CCCCc1ccccc1C(N)(CCCC)CCCC.O.
What is the InChIKey of 5-(2-butylphenyl)nonan-5-amine;hydrate?
The InChIKey is ZYDHOGLLPHPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.H2O/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3;/h10-11,13-14H,4-9,12,15-16,20H2,1-3H3;1H2.
What are the key properties of 5-(2-butylphenyl)nonan-5-amine;hydrate?
5-(2-butylphenyl)nonan-5-amine;hydrate has a molecular weight of 293.50 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butylphenyl)nonan-5-amine;hydrate is sourced from PubChem (CID 173000682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).