N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine

C13H30N2 — CID 23198614

IUPACN',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CC(C)CCN(C)C
InChIInChI=1S/C13H30N2/c1-6-9-15(10-7-2)12-13(3)8-11-14(4)5/h13H,6-12H2,1-5H3
InChIKeyFRICRXGVXSJWAX-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.70
Rot. Bonds9

About N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine

N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine (PubChem CID 23198614) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
PubChem CID23198614
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CC(C)CCN(C)C
InChIInChI=1S/C13H30N2/c1-6-9-15(10-7-2)12-13(3)8-11-14(4)5/h13H,6-12H2,1-5H3
InChIKeyFRICRXGVXSJWAX-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dipropylamino)-3-methylbutane-1-thiol
CID 23362434
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
2-methyl-N,N-dipropylhex-5-en-1-amine
CID 143366711
N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
CID 81080602
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
2,5-dimethyl-7-propan-2-yl-N,N,6-tripropyldecan-1-amine
CID 123419359
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65010680
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051

Frequently Asked Questions

What is the IUPAC name of N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine?
The IUPAC name of N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine (CID 23198614) is N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine.
What is the SMILES notation for N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine?
The canonical SMILES for N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine is CCCN(CCC)CC(C)CCN(C)C.
What is the InChIKey of N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine?
The InChIKey is FRICRXGVXSJWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-9-15(10-7-2)12-13(3)8-11-14(4)5/h13H,6-12H2,1-5H3.
What are the key properties of N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine?
N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine is sourced from PubChem (CID 23198614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).