N-benzylpropan-1-amine;nitromethane

C11H18N2O2 — CID 90801656

IUPACN-benzylpropan-1-amine;nitromethane
SMILESCCCNCc1ccccc1.C[N+](=O)[O-]
InChIInChI=1S/C10H15N.CH3NO2/c1-2-8-11-9-10-6-4-3-5-7-10;1-2(3)4/h3-7,11H,2,8-9H2,1H3;1H3
InChIKeyREYRZUOZHUFBNK-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.08
Rot. Bonds4

About N-benzylpropan-1-amine;nitromethane

N-benzylpropan-1-amine;nitromethane (PubChem CID 90801656) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-benzylpropan-1-amine;nitromethane.

Molecular Properties

Compound NameN-benzylpropan-1-amine;nitromethane
PubChem CID90801656
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-benzylpropan-1-amine;nitromethane
SMILESCCCNCc1ccccc1.C[N+](=O)[O-]
InChIInChI=1S/C10H15N.CH3NO2/c1-2-8-11-9-10-6-4-3-5-7-10;1-2(3)4/h3-7,11H,2,8-9H2,1H3;1H3
InChIKeyREYRZUOZHUFBNK-UHFFFAOYSA-N
XLogP2.08
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzylpropan-1-amine;ethane;propane
CID 145164103
potassium;N'-benzyl-N-(2-nitroethyl)ethane-1,2-diamine;hydride
CID 173189588
azane;N-benzylbutan-1-amine
CID 175388745
N-[[4-(2-nitrophenoxy)phenyl]methyl]propan-1-amine
CID 61030640
N-[(4-phenylsulfanylphenyl)methyl]propan-1-amine
CID 19069438
N-[(4-benzylsulfanylphenyl)methyl]propan-1-amine
CID 63805583
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096
N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66405734

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-1-amine;nitromethane?
The IUPAC name of N-benzylpropan-1-amine;nitromethane (CID 90801656) is N-benzylpropan-1-amine;nitromethane.
What is the SMILES notation for N-benzylpropan-1-amine;nitromethane?
The canonical SMILES for N-benzylpropan-1-amine;nitromethane is CCCNCc1ccccc1.C[N+](=O)[O-].
What is the InChIKey of N-benzylpropan-1-amine;nitromethane?
The InChIKey is REYRZUOZHUFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.CH3NO2/c1-2-8-11-9-10-6-4-3-5-7-10;1-2(3)4/h3-7,11H,2,8-9H2,1H3;1H3.
What are the key properties of N-benzylpropan-1-amine;nitromethane?
N-benzylpropan-1-amine;nitromethane has a molecular weight of 210.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-1-amine;nitromethane is sourced from PubChem (CID 90801656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).