N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine

C14H32N2 — CID 60854537

IUPACN',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCCNC(C)C
InChIInChI=1S/C14H32N2/c1-5-7-11-16(12-8-6-2)13-9-10-15-14(3)4/h14-15H,5-13H2,1-4H3
InChIKeyRWBSSMQXNRLMTP-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.28
Rot. Bonds11

About N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine

N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine (PubChem CID 60854537) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
PubChem CID60854537
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCCNC(C)C
InChIInChI=1S/C14H32N2/c1-5-7-11-16(12-8-6-2)13-9-10-15-14(3)4/h14-15H,5-13H2,1-4H3
InChIKeyRWBSSMQXNRLMTP-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.28
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'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N-propan-2-ylicosan-1-amine
CID 87246132
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 146254947
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 164863364
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine (CID 60854537) is N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine is CCCCN(CCCC)CCCNC(C)C.
What is the InChIKey of N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is RWBSSMQXNRLMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-7-11-16(12-8-6-2)13-9-10-15-14(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine?
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 60854537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).