pentane-1,2,3,4,5-pentamine

C5H17N5 — CID 86014297

IUPACpentane-1,2,3,4,5-pentamine
SMILESNCC(N)C(N)C(N)CN
InChIInChI=1S/C5H17N5/c6-1-3(8)5(10)4(9)2-7/h3-5H,1-2,6-10H2
InChIKeyVXYOTPRQVJDCET-UHFFFAOYSA-N
MW147.23 g/mol
LogP-3.11
Rot. Bonds4

About pentane-1,2,3,4,5-pentamine

pentane-1,2,3,4,5-pentamine (PubChem CID 86014297) has the molecular formula C5H17N5 and a molecular weight of 147.23 g/mol. Its IUPAC name is pentane-1,2,3,4,5-pentamine.

Molecular Properties

Compound Namepentane-1,2,3,4,5-pentamine
PubChem CID86014297
Molecular FormulaC5H17N5
Molecular Weight147.23 g/mol
Exact Mass147.15
IUPAC Namepentane-1,2,3,4,5-pentamine
SMILESNCC(N)C(N)C(N)CN
InChIInChI=1S/C5H17N5/c6-1-3(8)5(10)4(9)2-7/h3-5H,1-2,6-10H2
InChIKeyVXYOTPRQVJDCET-UHFFFAOYSA-N
XLogP-3.11
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.23
LogP ≤ 5-3.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pentane-1,2,3,4,5-pentamine?
The IUPAC name of pentane-1,2,3,4,5-pentamine (CID 86014297) is pentane-1,2,3,4,5-pentamine.
What is the SMILES notation for pentane-1,2,3,4,5-pentamine?
The canonical SMILES for pentane-1,2,3,4,5-pentamine is NCC(N)C(N)C(N)CN.
What is the InChIKey of pentane-1,2,3,4,5-pentamine?
The InChIKey is VXYOTPRQVJDCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H17N5/c6-1-3(8)5(10)4(9)2-7/h3-5H,1-2,6-10H2.
What are the key properties of pentane-1,2,3,4,5-pentamine?
pentane-1,2,3,4,5-pentamine has a molecular weight of 147.23 g/mol, XLogP of -3.11, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,2,3,4,5-pentamine is sourced from PubChem (CID 86014297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).