prop-1-ene-1,1,2,3,3-pentamine

C3H11N5 — CID 87964633

IUPACprop-1-ene-1,1,2,3,3-pentamine
SMILESNC(N)=C(N)C(N)N
InChIInChI=1S/C3H11N5/c4-1(2(5)6)3(7)8/h2H,4-8H2
InChIKeyAYHHEXKTTRUUNN-UHFFFAOYSA-N
MW117.16 g/mol
LogP-2.72
Rot. Bonds1

About prop-1-ene-1,1,2,3,3-pentamine

prop-1-ene-1,1,2,3,3-pentamine (PubChem CID 87964633) has the molecular formula C3H11N5 and a molecular weight of 117.16 g/mol. Its IUPAC name is prop-1-ene-1,1,2,3,3-pentamine.

Molecular Properties

Compound Nameprop-1-ene-1,1,2,3,3-pentamine
PubChem CID87964633
Molecular FormulaC3H11N5
Molecular Weight117.16 g/mol
Exact Mass117.10
IUPAC Nameprop-1-ene-1,1,2,3,3-pentamine
SMILESNC(N)=C(N)C(N)N
InChIInChI=1S/C3H11N5/c4-1(2(5)6)3(7)8/h2H,4-8H2
InChIKeyAYHHEXKTTRUUNN-UHFFFAOYSA-N
XLogP-2.72
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2,2-diaminoacetic acid
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(3R)-but-1-ene-2,3-diamine
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(2R)-2-aminopropanethioamide
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1,1-diaminopropan-2-one;dihydrochloride
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(E)-6-chloro-4-iodohex-5-enamide
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(S)-amino(phosphanyl)methanol
CID 173485224
1,2,2-triamino-N-(1-aminoethyl)-N-hydroxyethenamine oxide
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CID 101272738
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158

Frequently Asked Questions

What is the IUPAC name of prop-1-ene-1,1,2,3,3-pentamine?
The IUPAC name of prop-1-ene-1,1,2,3,3-pentamine (CID 87964633) is prop-1-ene-1,1,2,3,3-pentamine.
What is the SMILES notation for prop-1-ene-1,1,2,3,3-pentamine?
The canonical SMILES for prop-1-ene-1,1,2,3,3-pentamine is NC(N)=C(N)C(N)N.
What is the InChIKey of prop-1-ene-1,1,2,3,3-pentamine?
The InChIKey is AYHHEXKTTRUUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N5/c4-1(2(5)6)3(7)8/h2H,4-8H2.
What are the key properties of prop-1-ene-1,1,2,3,3-pentamine?
prop-1-ene-1,1,2,3,3-pentamine has a molecular weight of 117.16 g/mol, XLogP of -2.72, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene-1,1,2,3,3-pentamine is sourced from PubChem (CID 87964633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).