N-benzylpropan-1-amine;ethane;propane

C15H29N — CID 145164103

IUPACN-benzylpropan-1-amine;ethane;propane
SMILESCC.CCC.CCCNCc1ccccc1
InChIInChI=1S/C10H15N.C3H8.C2H6/c1-2-8-11-9-10-6-4-3-5-7-10;1-3-2;1-2/h3-7,11H,2,8-9H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZVPBZRYVKNGFCE-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.63
Rot. Bonds4

About N-benzylpropan-1-amine;ethane;propane

N-benzylpropan-1-amine;ethane;propane (PubChem CID 145164103) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-benzylpropan-1-amine;ethane;propane.

Molecular Properties

Compound NameN-benzylpropan-1-amine;ethane;propane
PubChem CID145164103
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-benzylpropan-1-amine;ethane;propane
SMILESCC.CCC.CCCNCc1ccccc1
InChIInChI=1S/C10H15N.C3H8.C2H6/c1-2-8-11-9-10-6-4-3-5-7-10;1-3-2;1-2/h3-7,11H,2,8-9H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZVPBZRYVKNGFCE-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzylpropan-1-amine;nitromethane
CID 90801656
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
azane;N-benzylbutan-1-amine
CID 175388745
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-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-benzyl-2-dibutylphosphanylethanamine
CID 139967291
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-1-amine;ethane;propane?
The IUPAC name of N-benzylpropan-1-amine;ethane;propane (CID 145164103) is N-benzylpropan-1-amine;ethane;propane.
What is the SMILES notation for N-benzylpropan-1-amine;ethane;propane?
The canonical SMILES for N-benzylpropan-1-amine;ethane;propane is CC.CCC.CCCNCc1ccccc1.
What is the InChIKey of N-benzylpropan-1-amine;ethane;propane?
The InChIKey is ZVPBZRYVKNGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C3H8.C2H6/c1-2-8-11-9-10-6-4-3-5-7-10;1-3-2;1-2/h3-7,11H,2,8-9H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of N-benzylpropan-1-amine;ethane;propane?
N-benzylpropan-1-amine;ethane;propane has a molecular weight of 223.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-1-amine;ethane;propane is sourced from PubChem (CID 145164103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).