N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine

C17H35N3 — CID 102997742

IUPACN'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1CCC1CNC1CC1
InChIInChI=1S/C17H35N3/c1-4-19(5-2)12-7-13-20(6-3)17-11-8-15(17)14-18-16-9-10-16/h15-18H,4-14H2,1-3H3
InChIKeyJTRAEJFBCBXUJK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds11

About N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102997742) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102997742
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1CCC1CNC1CC1
InChIInChI=1S/C17H35N3/c1-4-19(5-2)12-7-13-20(6-3)17-11-8-15(17)14-18-16-9-10-16/h15-18H,4-14H2,1-3H3
InChIKeyJTRAEJFBCBXUJK-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
2-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylcyclobutan-1-amine
CID 80998217
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N-butan-2-yl-2-[(cyclopropylamino)methyl]-N-methylcyclobutan-1-amine
CID 80999784
3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 102992496
2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80999921
1-N-[3-(diethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992521
2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine
CID 81004629
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol
CID 102996342
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine
CID 80999025

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102997742) is N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)C1CCC1CNC1CC1.
What is the InChIKey of N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is JTRAEJFBCBXUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-19(5-2)12-7-13-20(6-3)17-11-8-15(17)14-18-16-9-10-16/h15-18H,4-14H2,1-3H3.
What are the key properties of N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102997742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).