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

C12H26N2 — CID 65233033

IUPACN'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(CC)CC1CC1
InChIInChI=1S/C12H26N2/c1-3-5-12(8-13)10-14(4-2)9-11-6-7-11/h11-12H,3-10,13H2,1-2H3
InChIKeyVQXOQFUXPAJSDT-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds8

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

N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine (PubChem CID 65233033) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine
PubChem CID65233033
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(CC)CC1CC1
InChIInChI=1S/C12H26N2/c1-3-5-12(8-13)10-14(4-2)9-11-6-7-11/h11-12H,3-10,13H2,1-2H3
InChIKeyVQXOQFUXPAJSDT-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65232709
N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65233035
N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
CID 81079900
N',N',2-tripropylpropane-1,3-diamine
CID 65228607
N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233130
4-[[ethyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79470848
N-[[3-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 83619172
1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
CID 81101411
2-(cyclopentylmethyl)pentan-1-amine
CID 62503490
2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylpentan-1-amine
CID 65011250
methyl 2-amino-3-[cyclopropylmethyl(ethyl)amino]propanoate
CID 63955898
1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 63954939

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine (CID 65233033) is N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine is CCCC(CN)CN(CC)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine?
The InChIKey is VQXOQFUXPAJSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-12(8-13)10-14(4-2)9-11-6-7-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 8 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-propylpropane-1,3-diamine is sourced from PubChem (CID 65233033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).