1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane

C18H43N3 — CID 143105447

IUPAC1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane
SMILESCC.CCCN(C)C.CNC(CN(C)C1CC1)C(C)(C)C
InChIInChI=1S/C11H24N2.C5H13N.C2H6/c1-11(2,3)10(12-4)8-13(5)9-6-7-9;1-4-5-6(2)3;1-2/h9-10,12H,6-8H2,1-5H3;4-5H2,1-3H3;1-2H3
InChIKeyNPYBJMOPCLNKDX-UHFFFAOYSA-N
MW301.56 g/mol
LogP3.70
Rot. Bonds6

About 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane

1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane (PubChem CID 143105447) has the molecular formula C18H43N3 and a molecular weight of 301.56 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane
PubChem CID143105447
Molecular FormulaC18H43N3
Molecular Weight301.56 g/mol
Exact Mass301.35
IUPAC Name1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane
SMILESCC.CCCN(C)C.CNC(CN(C)C1CC1)C(C)(C)C
InChIInChI=1S/C11H24N2.C5H13N.C2H6/c1-11(2,3)10(12-4)8-13(5)9-6-7-9;1-4-5-6(2)3;1-2/h9-10,12H,6-8H2,1-5H3;4-5H2,1-3H3;1-2H3
InChIKeyNPYBJMOPCLNKDX-UHFFFAOYSA-N
XLogP3.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane?
The IUPAC name of 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane (CID 143105447) is 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane.
What is the SMILES notation for 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane?
The canonical SMILES for 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane is CC.CCCN(C)C.CNC(CN(C)C1CC1)C(C)(C)C.
What is the InChIKey of 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane?
The InChIKey is NPYBJMOPCLNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C5H13N.C2H6/c1-11(2,3)10(12-4)8-13(5)9-6-7-9;1-4-5-6(2)3;1-2/h9-10,12H,6-8H2,1-5H3;4-5H2,1-3H3;1-2H3.
What are the key properties of 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane?
1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane has a molecular weight of 301.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N,2-N,3,3-tetramethylbutane-1,2-diamine;N,N-dimethylpropan-1-amine;ethane is sourced from PubChem (CID 143105447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).