1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine

C14H32N2 — CID 62623709

IUPAC1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
SMILESCCN(CCC(NC)C(C)(C)C)CC(C)C
InChIInChI=1S/C14H32N2/c1-8-16(11-12(2)3)10-9-13(15-7)14(4,5)6/h12-13,15H,8-11H2,1-7H3
InChIKeyPIJDDGJRMQWHQP-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds7

About 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine

1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine (PubChem CID 62623709) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
PubChem CID62623709
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
SMILESCCN(CCC(NC)C(C)(C)C)CC(C)C
InChIInChI=1S/C14H32N2/c1-8-16(11-12(2)3)10-9-13(15-7)14(4,5)6/h12-13,15H,8-11H2,1-7H3
InChIKeyPIJDDGJRMQWHQP-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine (CID 62623709) is 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine is CCN(CCC(NC)C(C)(C)C)CC(C)C.
What is the InChIKey of 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine?
The InChIKey is PIJDDGJRMQWHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-16(11-12(2)3)10-9-13(15-7)14(4,5)6/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine?
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine is sourced from PubChem (CID 62623709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).