N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

C14H32N2 — CID 59849268

IUPACN',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN(CCCNC(C)C)CC(C)C
InChIInChI=1S/C14H32N2/c1-12(2)10-16(11-13(3)4)9-7-8-15-14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyQWEMYBTVBWROEY-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds9

About N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (PubChem CID 59849268) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
PubChem CID59849268
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN(CCCNC(C)C)CC(C)C
InChIInChI=1S/C14H32N2/c1-12(2)10-16(11-13(3)4)9-7-8-15-14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyQWEMYBTVBWROEY-UHFFFAOYSA-N
XLogP2.99
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 ≤ 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

N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 140903513
N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 164863364
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (CID 59849268) is N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is CC(C)CN(CCCNC(C)C)CC(C)C.
What is the InChIKey of N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is QWEMYBTVBWROEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-12(2)10-16(11-13(3)4)9-7-8-15-14(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 59849268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).