1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine

C12H26N2 — CID 63880126

IUPAC1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
SMILESCC(N)CCCCN(C)CC1CC1C
InChIInChI=1S/C12H26N2/c1-10-8-12(10)9-14(3)7-5-4-6-11(2)13/h10-12H,4-9,13H2,1-3H3
InChIKeyAWVYKZKFHNLQRA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds7

About 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine

1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine (PubChem CID 63880126) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
PubChem CID63880126
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
SMILESCC(N)CCCCN(C)CC1CC1C
InChIInChI=1S/C12H26N2/c1-10-8-12(10)9-14(3)7-5-4-6-11(2)13/h10-12H,4-9,13H2,1-3H3
InChIKeyAWVYKZKFHNLQRA-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine?
The IUPAC name of 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine (CID 63880126) is 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine is CC(N)CCCCN(C)CC1CC1C.
What is the InChIKey of 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine?
The InChIKey is AWVYKZKFHNLQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10-8-12(10)9-14(3)7-5-4-6-11(2)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine?
1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine is sourced from PubChem (CID 63880126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).