1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine

C14H32N2 — CID 62421816

IUPAC1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
SMILESCCCN(C(C)C)C(C)CCNCC(C)C
InChIInChI=1S/C14H32N2/c1-7-10-16(13(4)5)14(6)8-9-15-11-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyWHMDWLBEFADINN-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds9

About 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine

1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine (PubChem CID 62421816) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
PubChem CID62421816
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
SMILESCCCN(C(C)C)C(C)CCNCC(C)C
InChIInChI=1S/C14H32N2/c1-7-10-16(13(4)5)14(6)8-9-15-11-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyWHMDWLBEFADINN-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
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-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 62420483
1-N-ethyl-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62421254
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
2-methyl-N-propylpropan-1-amine
CID 520943
1-N-(3-ethoxypropyl)-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568076
3-N-methyl-3-N-(3-methylbutan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62433937
4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
CID 62412162
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
N'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine (CID 62421816) is 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine is CCCN(C(C)C)C(C)CCNCC(C)C.
What is the InChIKey of 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
The InChIKey is WHMDWLBEFADINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-10-16(13(4)5)14(6)8-9-15-11-12(2)3/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine?
1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 62421816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).