3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine

C15H34N2 — CID 55073718

IUPAC3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H34N2/c1-7-9-16-10-8-15(6)17(11-13(2)3)12-14(4)5/h13-16H,7-12H2,1-6H3
InChIKeyZIKDTCVBLXNUPH-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds10

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

3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine (PubChem CID 55073718) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
PubChem CID55073718
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H34N2/c1-7-9-16-10-8-15(6)17(11-13(2)3)12-14(4)5/h13-16H,7-12H2,1-6H3
InChIKeyZIKDTCVBLXNUPH-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
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

ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 79409681
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63940082
3-N-ethyl-3-N-(2-methylprop-2-enyl)-1-N-propylbutane-1,3-diamine
CID 62417278
3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63692329
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N-ethylpropan-1-amine;2-methylpentane
CID 171506483
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine (CID 55073718) is 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine is CCCNCCC(C)N(CC(C)C)CC(C)C.
What is the InChIKey of 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
The InChIKey is ZIKDTCVBLXNUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-9-16-10-8-15(6)17(11-13(2)3)12-14(4)5/h13-16H,7-12H2,1-6H3.
What are the key properties of 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 55073718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).