1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine

C13H26N2 — CID 63865613

IUPAC1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
SMILESCC1CC1CN(C)C(C)CCNC1CC1
InChIInChI=1S/C13H26N2/c1-10-8-12(10)9-15(3)11(2)6-7-14-13-4-5-13/h10-14H,4-9H2,1-3H3
InChIKeyQSSXGGCGIFNNQD-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds7

About 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine

1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine (PubChem CID 63865613) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
PubChem CID63865613
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
SMILESCC1CC1CN(C)C(C)CCNC1CC1
InChIInChI=1S/C13H26N2/c1-10-8-12(10)9-15(3)11(2)6-7-14-13-4-5-13/h10-14H,4-9H2,1-3H3
InChIKeyQSSXGGCGIFNNQD-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine (CID 63865613) is 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine is CC1CC1CN(C)C(C)CCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
The InChIKey is QSSXGGCGIFNNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-8-12(10)9-15(3)11(2)6-7-14-13-4-5-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine?
1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 63865613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).