(2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide

C18H39N5O — CID 10497449

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C18H39N5O/c1-2-3-4-5-6-7-8-9-10-11-14-22-17(24)16(19)13-12-15-23-18(20)21/h16H,2-15,19H2,1H3,(H,22,24)(H4,20,21,23)/t16-/m0/s1
InChIKeyQRXYOLQBNNYWCJ-INIZCTEOSA-N
MW341.54 g/mol
LogP2.40
Rot. Bonds16

About (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide

(2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide (PubChem CID 10497449) has the molecular formula C18H39N5O and a molecular weight of 341.54 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide
PubChem CID10497449
Molecular FormulaC18H39N5O
Molecular Weight341.54 g/mol
Exact Mass341.32
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C18H39N5O/c1-2-3-4-5-6-7-8-9-10-11-14-22-17(24)16(19)13-12-15-23-18(20)21/h16H,2-15,19H2,1H3,(H,22,24)(H4,20,21,23)/t16-/m0/s1
InChIKeyQRXYOLQBNNYWCJ-INIZCTEOSA-N
XLogP2.40
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide (CID 10497449) is (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide is CCCCCCCCCCCCNC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide?
The InChIKey is QRXYOLQBNNYWCJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H39N5O/c1-2-3-4-5-6-7-8-9-10-11-14-22-17(24)16(19)13-12-15-23-18(20)21/h16H,2-15,19H2,1H3,(H,22,24)(H4,20,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide?
(2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide has a molecular weight of 341.54 g/mol, XLogP of 2.40, 16 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)-N-dodecylpentanamide is sourced from PubChem (CID 10497449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).