N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine

C9H22N2 — CID 60852012

IUPACN'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
SMILESCCN(C)CCCNC(C)C
InChIInChI=1S/C9H22N2/c1-5-11(4)8-6-7-10-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyTWRBMEKNWMDREH-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds6

About N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine

N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine (PubChem CID 60852012) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
PubChem CID60852012
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
SMILESCCN(C)CCCNC(C)C
InChIInChI=1S/C9H22N2/c1-5-11(4)8-6-7-10-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyTWRBMEKNWMDREH-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
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

N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 163269208
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 164863364
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
N'-(3-ethylsulfonylpropyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 65093188
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine (CID 60852012) is N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine is CCN(C)CCCNC(C)C.
What is the InChIKey of N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is TWRBMEKNWMDREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-11(4)8-6-7-10-9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 60852012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).