N,N-dimethyl-3-phenylpropan-1-amine;nitric acid

C11H18N2O3 — CID 173132707

IUPACN,N-dimethyl-3-phenylpropan-1-amine;nitric acid
SMILESCN(C)CCCc1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C11H17N.HNO3/c1-12(2)10-6-9-11-7-4-3-5-8-11;2-1(3)4/h3-5,7-8H,6,9-10H2,1-2H3;(H,2,3,4)
InChIKeyPDUDRFBBCVPBPX-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.83
Rot. Bonds4

About N,N-dimethyl-3-phenylpropan-1-amine;nitric acid

N,N-dimethyl-3-phenylpropan-1-amine;nitric acid (PubChem CID 173132707) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylpropan-1-amine;nitric acid.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylpropan-1-amine;nitric acid
PubChem CID173132707
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN,N-dimethyl-3-phenylpropan-1-amine;nitric acid
SMILESCN(C)CCCc1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C11H17N.HNO3/c1-12(2)10-6-9-11-7-4-3-5-8-11;2-1(3)4/h3-5,7-8H,6,9-10H2,1-2H3;(H,2,3,4)
InChIKeyPDUDRFBBCVPBPX-UHFFFAOYSA-N
XLogP1.83
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 71389972
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N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N-phenyl-N-(3-phenylpropyl)nitramide
CID 154319591
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
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N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573271
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
nitric acid;1,1,2-trimethyl-2-phenylhydrazine
CID 172683859
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CID 171929637

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenylpropan-1-amine;nitric acid?
The IUPAC name of N,N-dimethyl-3-phenylpropan-1-amine;nitric acid (CID 173132707) is N,N-dimethyl-3-phenylpropan-1-amine;nitric acid.
What is the SMILES notation for N,N-dimethyl-3-phenylpropan-1-amine;nitric acid?
The canonical SMILES for N,N-dimethyl-3-phenylpropan-1-amine;nitric acid is CN(C)CCCc1ccccc1.O=[N+]([O-])O.
What is the InChIKey of N,N-dimethyl-3-phenylpropan-1-amine;nitric acid?
The InChIKey is PDUDRFBBCVPBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.HNO3/c1-12(2)10-6-9-11-7-4-3-5-8-11;2-1(3)4/h3-5,7-8H,6,9-10H2,1-2H3;(H,2,3,4).
What are the key properties of N,N-dimethyl-3-phenylpropan-1-amine;nitric acid?
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid has a molecular weight of 226.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylpropan-1-amine;nitric acid is sourced from PubChem (CID 173132707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).