N,N-dimethyl-7-phenylheptan-1-amine;hydrate

C15H27NO — CID 173447731

IUPACN,N-dimethyl-7-phenylheptan-1-amine;hydrate
SMILESCN(C)CCCCCCCc1ccccc1.O
InChIInChI=1S/C15H25N.H2O/c1-16(2)14-10-5-3-4-7-11-15-12-8-6-9-13-15;/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3;1H2
InChIKeyIXDMCSVMSAWOHF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.92
Rot. Bonds8

About N,N-dimethyl-7-phenylheptan-1-amine;hydrate

N,N-dimethyl-7-phenylheptan-1-amine;hydrate (PubChem CID 173447731) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N,N-dimethyl-7-phenylheptan-1-amine;hydrate.

Molecular Properties

Compound NameN,N-dimethyl-7-phenylheptan-1-amine;hydrate
PubChem CID173447731
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN,N-dimethyl-7-phenylheptan-1-amine;hydrate
SMILESCN(C)CCCCCCCc1ccccc1.O
InChIInChI=1S/C15H25N.H2O/c1-16(2)14-10-5-3-4-7-11-15-12-8-6-9-13-15;/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3;1H2
InChIKeyIXDMCSVMSAWOHF-UHFFFAOYSA-N
XLogP2.92
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.92
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-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
N,N-dimethyl-13-phenyltridecan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171929637
N,N-dimethyl-9-phenylnonan-1-amine;2-phenylethenesulfonic acid
CID 173333887
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987
4-phenylbutylbenzene
CID 141301927
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-phenylheptan-1-amine;hydrate?
The IUPAC name of N,N-dimethyl-7-phenylheptan-1-amine;hydrate (CID 173447731) is N,N-dimethyl-7-phenylheptan-1-amine;hydrate.
What is the SMILES notation for N,N-dimethyl-7-phenylheptan-1-amine;hydrate?
The canonical SMILES for N,N-dimethyl-7-phenylheptan-1-amine;hydrate is CN(C)CCCCCCCc1ccccc1.O.
What is the InChIKey of N,N-dimethyl-7-phenylheptan-1-amine;hydrate?
The InChIKey is IXDMCSVMSAWOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.H2O/c1-16(2)14-10-5-3-4-7-11-15-12-8-6-9-13-15;/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3;1H2.
What are the key properties of N,N-dimethyl-7-phenylheptan-1-amine;hydrate?
N,N-dimethyl-7-phenylheptan-1-amine;hydrate has a molecular weight of 237.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-phenylheptan-1-amine;hydrate is sourced from PubChem (CID 173447731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).