3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine

C14H28N2 — CID 81019609

IUPAC3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine
SMILESCCNCC(C)C(C)N(CC1CC1)C1CC1
InChIInChI=1S/C14H28N2/c1-4-15-9-11(2)12(3)16(14-7-8-14)10-13-5-6-13/h11-15H,4-10H2,1-3H3
InChIKeyGQUKQRYEOMIBCU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds8

About 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine

3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine (PubChem CID 81019609) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine
PubChem CID81019609
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine
SMILESCCNCC(C)C(C)N(CC1CC1)C1CC1
InChIInChI=1S/C14H28N2/c1-4-15-9-11(2)12(3)16(14-7-8-14)10-13-5-6-13/h11-15H,4-10H2,1-3H3
InChIKeyGQUKQRYEOMIBCU-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011652
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 64520884
N-cyclopropyl-N-(cyclopropylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 64520179
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 81012962
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 64521692
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011772
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 81012403
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62420912
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 64521491

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine (CID 81019609) is 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine is CCNCC(C)C(C)N(CC1CC1)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine?
The InChIKey is GQUKQRYEOMIBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-15-9-11(2)12(3)16(14-7-8-14)10-13-5-6-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine?
3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine is sourced from PubChem (CID 81019609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).