N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine

C14H32N2 — CID 62559989

IUPACN'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine
SMILESCCC(C)N(CC)CCNCCCC(C)C
InChIInChI=1S/C14H32N2/c1-6-14(5)16(7-2)12-11-15-10-8-9-13(3)4/h13-15H,6-12H2,1-5H3
InChIKeyHWBKTCHQKGIOCN-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds10

About N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine

N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine (PubChem CID 62559989) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine
PubChem CID62559989
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine
SMILESCCC(C)N(CC)CCNCCCC(C)C
InChIInChI=1S/C14H32N2/c1-6-14(5)16(7-2)12-11-15-10-8-9-13(3)4/h13-15H,6-12H2,1-5H3
InChIKeyHWBKTCHQKGIOCN-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
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-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 55088829
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine
CID 62560910
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N-(2-iodoethyl)-4-methylpentan-1-amine
CID 114505662
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 134316858
1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
CID 62435358

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine (CID 62559989) is N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine is CCC(C)N(CC)CCNCCCC(C)C.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine?
The InChIKey is HWBKTCHQKGIOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-14(5)16(7-2)12-11-15-10-8-9-13(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 62559989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).