N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C12H27N3 — CID 102994374

IUPACN'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CN)CC1
InChIInChI=1S/C12H27N3/c1-4-15(9-5-8-14(2)3)11-12(10-13)6-7-12/h4-11,13H2,1-3H3
InChIKeyQCMNQVNCIKWRNP-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds8

About N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102994374) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102994374
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CN)CC1
InChIInChI=1S/C12H27N3/c1-4-15(9-5-8-14(2)3)11-12(10-13)6-7-12/h4-11,13H2,1-3H3
InChIKeyQCMNQVNCIKWRNP-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847
N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
CID 102997109
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
CID 102997145
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
[1-[[2-(dimethylamino)ethyl-ethylamino]methyl]cyclopropyl]methanol
CID 167120213
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 115453707
N'-ethyl-N,N-dimethyl-N'-[(2-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 102994386
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82954753
2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104861779
N'-[[1-(bromomethyl)cyclopropyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65013503
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102994374) is N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CC1(CN)CC1.
What is the InChIKey of N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is QCMNQVNCIKWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-15(9-5-8-14(2)3)11-12(10-13)6-7-12/h4-11,13H2,1-3H3.
What are the key properties of N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102994374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).