3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine

C14H32N2 — CID 62433937

IUPAC3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCC(C)CNCCC(C)N(C)C(C)C(C)C
InChIInChI=1S/C14H32N2/c1-11(2)10-15-9-8-13(5)16(7)14(6)12(3)4/h11-15H,8-10H2,1-7H3
InChIKeyRTKYFLHWZNNKPL-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds8

About 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine

3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 62433937) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID62433937
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCC(C)CNCCC(C)N(C)C(C)C(C)C
InChIInChI=1S/C14H32N2/c1-11(2)10-15-9-8-13(5)16(7)14(6)12(3)4/h11-15H,8-10H2,1-7H3
InChIKeyRTKYFLHWZNNKPL-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.99
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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Related Compounds

3-N-methyl-1-N-(2-methylpropyl)-3-N-(1-methylsulfanylpropan-2-yl)butane-1,3-diamine
CID 112665972
N-methyl-N-(3-methylbutan-2-yl)pentan-2-amine
CID 90729081
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62419355
1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 62421816
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080353
2-methyl-N-propylpropan-1-amine
CID 520943
3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 63492427
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
3-N,2-dimethyl-3-N-(4-methylpentan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019594
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine (CID 62433937) is 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine is CC(C)CNCCC(C)N(C)C(C)C(C)C.
What is the InChIKey of 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is RTKYFLHWZNNKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-11(2)10-15-9-8-13(5)16(7)14(6)12(3)4/h11-15H,8-10H2,1-7H3.
What are the key properties of 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine?
3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 62433937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).