N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C18H28N2 — CID 62439717

IUPACN-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESC=CCN(CC=C)Cc1ccccc1CNCC(C)C
InChIInChI=1S/C18H28N2/c1-5-11-20(12-6-2)15-18-10-8-7-9-17(18)14-19-13-16(3)4/h5-10,16,19H,1-2,11-15H2,3-4H3
InChIKeyBJVYLSOYGPURRI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.61
Rot. Bonds10

About N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62439717) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62439717
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESC=CCN(CC=C)Cc1ccccc1CNCC(C)C
InChIInChI=1S/C18H28N2/c1-5-11-20(12-6-2)15-18-10-8-7-9-17(18)14-19-13-16(3)4/h5-10,16,19H,1-2,11-15H2,3-4H3
InChIKeyBJVYLSOYGPURRI-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62419867
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228
2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine
CID 24805727
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
3-fluoro-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105388723
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 62439717) is N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is C=CCN(CC=C)Cc1ccccc1CNCC(C)C.
What is the InChIKey of N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BJVYLSOYGPURRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-5-11-20(12-6-2)15-18-10-8-7-9-17(18)14-19-13-16(3)4/h5-10,16,19H,1-2,11-15H2,3-4H3.
What are the key properties of N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62439717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).