N-ethyl-3-methyl-N'-propylpentane-1,5-diamine

C11H26N2 — CID 163901497

IUPACN-ethyl-3-methyl-N'-propylpentane-1,5-diamine
SMILESCCCNCCC(C)CCNCC
InChIInChI=1S/C11H26N2/c1-4-8-13-10-7-11(3)6-9-12-5-2/h11-13H,4-10H2,1-3H3
InChIKeyQKGKLTFNWPZBOZ-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds9

About N-ethyl-3-methyl-N'-propylpentane-1,5-diamine

N-ethyl-3-methyl-N'-propylpentane-1,5-diamine (PubChem CID 163901497) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-propylpentane-1,5-diamine
PubChem CID163901497
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-ethyl-3-methyl-N'-propylpentane-1,5-diamine
SMILESCCCNCCC(C)CCNCC
InChIInChI=1S/C11H26N2/c1-4-8-13-10-7-11(3)6-9-12-5-2/h11-13H,4-10H2,1-3H3
InChIKeyQKGKLTFNWPZBOZ-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethylpropan-1-amine;2-methylpentane
CID 171506483
4-(ethylamino)-2-methylbutan-1-ol
CID 55288287
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
N,N'-dibutyl-2,5-dimethylheptane-1,7-diamine;N,N'-diethyl-5-methylnonane-1,9-diamine
CID 21331399
3-methyl-4-propan-2-yloxy-N-propylbutan-1-amine
CID 81019972
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 78959175
5-methyl-N-propylnonan-1-amine
CID 123719528
7-methyl-N-propyltridecan-1-amine
CID 123278261
ethane;N-ethylpropan-1-amine;molecular hydrogen
CID 153336858
N-ethylpropan-1-amine;methanethiol;propane
CID 143432965
N,N-dimethylmethanamine;N-ethylpropan-1-amine
CID 118663401

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-propylpentane-1,5-diamine?
The IUPAC name of N-ethyl-3-methyl-N'-propylpentane-1,5-diamine (CID 163901497) is N-ethyl-3-methyl-N'-propylpentane-1,5-diamine.
What is the SMILES notation for N-ethyl-3-methyl-N'-propylpentane-1,5-diamine?
The canonical SMILES for N-ethyl-3-methyl-N'-propylpentane-1,5-diamine is CCCNCCC(C)CCNCC.
What is the InChIKey of N-ethyl-3-methyl-N'-propylpentane-1,5-diamine?
The InChIKey is QKGKLTFNWPZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-8-13-10-7-11(3)6-9-12-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N'-propylpentane-1,5-diamine?
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-propylpentane-1,5-diamine is sourced from PubChem (CID 163901497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).