1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine

C9H22N2 — CID 43265715

IUPAC1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCCN(CCC(C)N)C(C)C
InChIInChI=1S/C9H22N2/c1-5-11(8(2)3)7-6-9(4)10/h8-9H,5-7,10H2,1-4H3
InChIKeyFQEGDHOAMISXDP-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.45
Rot. Bonds5

About 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine

1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 43265715) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID43265715
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCCN(CCC(C)N)C(C)C
InChIInChI=1S/C9H22N2/c1-5-11(8(2)3)7-6-9(4)10/h8-9H,5-7,10H2,1-4H3
InChIKeyFQEGDHOAMISXDP-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine (CID 43265715) is 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine is CCN(CCC(C)N)C(C)C.
What is the InChIKey of 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is FQEGDHOAMISXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-11(8(2)3)7-6-9(4)10/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine?
1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 43265715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).