ethane;pentane-2,3,4-triamine

C7H21N3 — CID 91203687

IUPACethane;pentane-2,3,4-triamine
SMILESCC.CC(N)C(N)C(C)N
InChIInChI=1S/C5H15N3.C2H6/c1-3(6)5(8)4(2)7;1-2/h3-5H,6-8H2,1-2H3;1-2H3
InChIKeySXNKBECCTYWDSV-UHFFFAOYSA-N
MW147.27 g/mol
LogP0.03
Rot. Bonds2

About ethane;pentane-2,3,4-triamine

ethane;pentane-2,3,4-triamine (PubChem CID 91203687) has the molecular formula C7H21N3 and a molecular weight of 147.27 g/mol. Its IUPAC name is ethane;pentane-2,3,4-triamine.

Molecular Properties

Compound Nameethane;pentane-2,3,4-triamine
PubChem CID91203687
Molecular FormulaC7H21N3
Molecular Weight147.27 g/mol
Exact Mass147.17
IUPAC Nameethane;pentane-2,3,4-triamine
SMILESCC.CC(N)C(N)C(C)N
InChIInChI=1S/C5H15N3.C2H6/c1-3(6)5(8)4(2)7;1-2/h3-5H,6-8H2,1-2H3;1-2H3
InChIKeySXNKBECCTYWDSV-UHFFFAOYSA-N
XLogP0.03
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;pentane-2,3,4-triamine?
The IUPAC name of ethane;pentane-2,3,4-triamine (CID 91203687) is ethane;pentane-2,3,4-triamine.
What is the SMILES notation for ethane;pentane-2,3,4-triamine?
The canonical SMILES for ethane;pentane-2,3,4-triamine is CC.CC(N)C(N)C(C)N.
What is the InChIKey of ethane;pentane-2,3,4-triamine?
The InChIKey is SXNKBECCTYWDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3.C2H6/c1-3(6)5(8)4(2)7;1-2/h3-5H,6-8H2,1-2H3;1-2H3.
What are the key properties of ethane;pentane-2,3,4-triamine?
ethane;pentane-2,3,4-triamine has a molecular weight of 147.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentane-2,3,4-triamine is sourced from PubChem (CID 91203687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).