N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine

C19H32N2 — CID 63954461

IUPACN-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-13-20-15-19(3,18-9-7-6-8-10-18)16-21(5-2)14-17-11-12-17/h6-10,17,20H,4-5,11-16H2,1-3H3
InChIKeyDKEWTDMQYFNDGJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.68
Rot. Bonds10

About N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine

N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine (PubChem CID 63954461) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
PubChem CID63954461
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-13-20-15-19(3,18-9-7-6-8-10-18)16-21(5-2)14-17-11-12-17/h6-10,17,20H,4-5,11-16H2,1-3H3
InChIKeyDKEWTDMQYFNDGJ-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
CID 63482320
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 63955665
N,N'-diethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62262898
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62263083
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
N-cyclopropyl-N,N'-diethyl-2-methyl-2-phenylpropane-1,3-diamine
CID 62261792
1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol
CID 79377198
N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62259863
3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
CID 63955663
2-[ethyl-[2-methyl-3-(2-methylpropylamino)-2-phenylpropyl]amino]ethanol
CID 62258274

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine (CID 63954461) is N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(CN(CC)CC1CC1)c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine?
The InChIKey is DKEWTDMQYFNDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-13-20-15-19(3,18-9-7-6-8-10-18)16-21(5-2)14-17-11-12-17/h6-10,17,20H,4-5,11-16H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine?
N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63954461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).