N,N-dipropylpropan-1-amine;propane

C12H29N — CID 174574210

IUPACN,N-dipropylpropan-1-amine;propane
SMILESCCC.CCCN(CCC)CCC
InChIInChI=1S/C9H21N.C3H8/c1-4-7-10(8-5-2)9-6-3;1-3-2/h4-9H2,1-3H3;3H2,1-2H3
InChIKeyMJVAVVBPEVXMDB-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.93
Rot. Bonds6

About N,N-dipropylpropan-1-amine;propane

N,N-dipropylpropan-1-amine;propane (PubChem CID 174574210) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is N,N-dipropylpropan-1-amine;propane.

Molecular Properties

Compound NameN,N-dipropylpropan-1-amine;propane
PubChem CID174574210
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC NameN,N-dipropylpropan-1-amine;propane
SMILESCCC.CCCN(CCC)CCC
InChIInChI=1S/C9H21N.C3H8/c1-4-7-10(8-5-2)9-6-3;1-3-2/h4-9H2,1-3H3;3H2,1-2H3
InChIKeyMJVAVVBPEVXMDB-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dibromide
CID 173220545
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dichloride
CID 173220390
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N-(2-iodoethyl)-N-propylpropan-1-amine
CID 88928815
N,N-dipropylpropan-1-amine;methanone;2-methylpropane;ruthenium(4+)
CID 169317196
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylpropan-1-amine;propane?
The IUPAC name of N,N-dipropylpropan-1-amine;propane (CID 174574210) is N,N-dipropylpropan-1-amine;propane.
What is the SMILES notation for N,N-dipropylpropan-1-amine;propane?
The canonical SMILES for N,N-dipropylpropan-1-amine;propane is CCC.CCCN(CCC)CCC.
What is the InChIKey of N,N-dipropylpropan-1-amine;propane?
The InChIKey is MJVAVVBPEVXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C3H8/c1-4-7-10(8-5-2)9-6-3;1-3-2/h4-9H2,1-3H3;3H2,1-2H3.
What are the key properties of N,N-dipropylpropan-1-amine;propane?
N,N-dipropylpropan-1-amine;propane has a molecular weight of 187.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylpropan-1-amine;propane is sourced from PubChem (CID 174574210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).