N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine

C17H37N3 — CID 102997141

IUPACN'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CNC(C)C)CCCC1
InChIInChI=1S/C17H37N3/c1-6-20(13-9-12-19(4)5)15-17(10-7-8-11-17)14-18-16(2)3/h16,18H,6-15H2,1-5H3
InChIKeyQKUIGHBTXNEESG-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds10

About N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine (PubChem CID 102997141) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
PubChem CID102997141
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CNC(C)C)CCCC1
InChIInChI=1S/C17H37N3/c1-6-20(13-9-12-19(4)5)15-17(10-7-8-11-17)14-18-16(2)3/h16,18H,6-15H2,1-5H3
InChIKeyQKUIGHBTXNEESG-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
CID 102997109
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 63692839
N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
CID 102997145
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 107401676
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine (CID 102997141) is N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine is CCN(CCCN(C)C)CC1(CNC(C)C)CCCC1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine?
The InChIKey is QKUIGHBTXNEESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-20(13-9-12-19(4)5)15-17(10-7-8-11-17)14-18-16(2)3/h16,18H,6-15H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102997141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).