N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine

C13H28N2 — CID 66337356

IUPACN'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
SMILESCC(CCCNC1CC1)CCNC(C)C
InChIInChI=1S/C13H28N2/c1-11(2)14-10-8-12(3)5-4-9-15-13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyRJJWEKOALIVSFF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds9

About N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine

N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine (PubChem CID 66337356) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
PubChem CID66337356
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
SMILESCC(CCCNC1CC1)CCNC(C)C
InChIInChI=1S/C13H28N2/c1-11(2)14-10-8-12(3)5-4-9-15-13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyRJJWEKOALIVSFF-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine (CID 66337356) is N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine is CC(CCCNC1CC1)CCNC(C)C.
What is the InChIKey of N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine?
The InChIKey is RJJWEKOALIVSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)14-10-8-12(3)5-4-9-15-13-6-7-13/h11-15H,4-10H2,1-3H3.
What are the key properties of N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine?
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 66337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).