15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate

C27H51NO — CID 173447970

IUPAC15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
SMILESCCCN(CCC)CCCCCCCCCCCCCCCc1ccccc1.O
InChIInChI=1S/C27H49N.H2O/c1-3-24-28(25-4-2)26-20-15-13-11-9-7-5-6-8-10-12-14-17-21-27-22-18-16-19-23-27;/h16,18-19,22-23H,3-15,17,20-21,24-26H2,1-2H3;1H2
InChIKeyDDLSBUFXYZXTBP-UHFFFAOYSA-N
MW405.71 g/mol
LogP7.60
Rot. Bonds20

About 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate

15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate (PubChem CID 173447970) has the molecular formula C27H51NO and a molecular weight of 405.71 g/mol. Its IUPAC name is 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate.

Molecular Properties

Compound Name15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
PubChem CID173447970
Molecular FormulaC27H51NO
Molecular Weight405.71 g/mol
Exact Mass405.40
IUPAC Name15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
SMILESCCCN(CCC)CCCCCCCCCCCCCCCc1ccccc1.O
InChIInChI=1S/C27H49N.H2O/c1-3-24-28(25-4-2)26-20-15-13-11-9-7-5-6-8-10-12-14-17-21-27-22-18-16-19-23-27;/h16,18-19,22-23H,3-15,17,20-21,24-26H2,1-2H3;1H2
InChIKeyDDLSBUFXYZXTBP-UHFFFAOYSA-N
XLogP7.60
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
2-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N-benzyl-N-propylhexan-1-amine
CID 123983090
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate?
The IUPAC name of 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate (CID 173447970) is 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate.
What is the SMILES notation for 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate?
The canonical SMILES for 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate is CCCN(CCC)CCCCCCCCCCCCCCCc1ccccc1.O.
What is the InChIKey of 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate?
The InChIKey is DDLSBUFXYZXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N.H2O/c1-3-24-28(25-4-2)26-20-15-13-11-9-7-5-6-8-10-12-14-17-21-27-22-18-16-19-23-27;/h16,18-19,22-23H,3-15,17,20-21,24-26H2,1-2H3;1H2.
What are the key properties of 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate?
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate has a molecular weight of 405.71 g/mol, XLogP of 7.60, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate is sourced from PubChem (CID 173447970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).