1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride

C11H26Cl2N2 — CID 69456061

IUPAC1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride
SMILESCCN(CC)CCCC(N)C1CC1.Cl.Cl
InChIInChI=1S/C11H24N2.2ClH/c1-3-13(4-2)9-5-6-11(12)10-7-8-10;;/h10-11H,3-9,12H2,1-2H3;2*1H
InChIKeyPZGQKXDNKQQCOJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.69
Rot. Bonds7

About 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride

1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride (PubChem CID 69456061) has the molecular formula C11H26Cl2N2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride
PubChem CID69456061
Molecular FormulaC11H26Cl2N2
Molecular Weight257.25 g/mol
Exact Mass256.15
IUPAC Name1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride
SMILESCCN(CC)CCCC(N)C1CC1.Cl.Cl
InChIInChI=1S/C11H24N2.2ClH/c1-3-13(4-2)9-5-6-11(12)10-7-8-10;;/h10-11H,3-9,12H2,1-2H3;2*1H
InChIKeyPZGQKXDNKQQCOJ-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
(2R)-2-amino-5-(diethylamino)pentan-1-ol
CID 131859240
4-N-(dicyclopropylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43362773
1-N,1-N-diethylhexane-1,4-diamine
CID 86612309
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
CID 144564960
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
1-cyclopropyl-6,6-dimethylheptan-1-amine
CID 64504875
1-cyclobutylnonan-1-amine
CID 64986616

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride?
The IUPAC name of 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride (CID 69456061) is 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride?
The canonical SMILES for 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride is CCN(CC)CCCC(N)C1CC1.Cl.Cl.
What is the InChIKey of 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride?
The InChIKey is PZGQKXDNKQQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.2ClH/c1-3-13(4-2)9-5-6-11(12)10-7-8-10;;/h10-11H,3-9,12H2,1-2H3;2*1H.
What are the key properties of 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride?
1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride has a molecular weight of 257.25 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 69456061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).